[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate

C22H25N5O5S — CID 55356889

About [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate

[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate (PubChem CID 55356889) has the molecular formula C22H25N5O5S and a molecular weight of 471.54 g/mol. Its IUPAC name is [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate.

Molecular Properties

• Compound Name: [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
• PubChem CID: 55356889
• Molecular Formula: C22H25N5O5S
• Molecular Weight: 471.54 g/mol
• Exact Mass: 471.16
• IUPAC Name: [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
• SMILES: CCCN(C(=O)COC(=O)Cc1csc(C)n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
• InChI: InChI=1S/C22H25N5O5S/c1-3-9-26(17(28)12-32-18(29)10-16-13-33-14(2)24-16)19-20(23)27(22(31)25-21(19)30)11-15-7-5-4-6-8-15/h4-8,13H,3,9-12,23H2,1-2H3,(H,25,30,31)
• InChIKey: GCVJVRJIDODSIV-UHFFFAOYSA-N
• XLogP: 1.46
• TPSA: 140.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.54
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?

The IUPAC name of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate (CID 55356889) is [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate.

What is the SMILES notation for [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?

The canonical SMILES for [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate is CCCN(C(=O)COC(=O)Cc1csc(C)n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.

What is the InChIKey of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?

The InChIKey is GCVJVRJIDODSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5S/c1-3-9-26(17(28)12-32-18(29)10-16-13-33-14(2)24-16)19-20(23)27(22(31)25-21(19)30)11-15-7-5-4-6-8-15/h4-8,13H,3,9-12,23H2,1-2H3,(H,25,30,31).

What are the key properties of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate?

[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate has a molecular weight of 471.54 g/mol, XLogP of 1.46, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 55356889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).